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Chemical ID: 4274044
Chemical ID:
4274044
Name [?]:
None
SMILES [?]:
CCN(CC)CCCCN1c2ccccc2CCc3c1cccc3
InChi [?]:
InChI=1/C22H30N2/c1-3-23(4-2)17-9-10-18-24-21-13-7-5-11-19(21)15-16-20-12-6-8-14-22(20)24/h5-8,11-14H,3-4,9-10,15-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,14,23,13,22,7,8,15,24,12,21,17,18,6,9,16,19,11,20,3,10/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)(15,16)(19,20)(21,22)/rA:24nCCNCCCCCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;s10s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3387 |
Area: | 561.156 |
Solvation: | -1.69016 |
Coulombic: | -13.7022 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.487 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.23 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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